Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50411943'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50411943 (CHEMBL270185) Show SMILES CC(C)(Oc1ccc(cn1)C#N)C(=O)N[C@@H]1C2COCC1C[C@H](C2)C(N)=O |wD:15.15,22.26,THB:24:22:15:17.18.19,14:15:17.18.19:21.22.23,(26.98,-24.8,;26.19,-23.49,;25.37,-22.17,;27.5,-22.69,;28.86,-23.43,;28.89,-24.97,;30.25,-25.71,;31.56,-24.9,;31.52,-23.35,;30.17,-22.62,;32.92,-25.64,;34.27,-26.37,;24.89,-24.31,;24.95,-25.85,;23.52,-23.6,;22.22,-24.42,;20.72,-24.38,;18.93,-24.73,;18.39,-23.28,;19.55,-23.89,;21.28,-23.53,;21.04,-21.85,;19.55,-21.82,;20.45,-22.63,;18.12,-21.26,;16.91,-22.22,;17.89,-19.74,)| Show InChI InChI=1S/C19H24N4O4/c1-19(2,27-15-4-3-11(7-20)8-22-15)18(25)23-16-13-5-12(17(21)24)6-14(16)10-26-9-13/h3-4,8,12-14,16H,5-6,9-10H2,1-2H3,(H2,21,24)(H,23,25)/t12-,13?,14?,16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.0	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
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